[2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-(3,5-difluorophenyl)acetate;[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2,3,4-trifluorobenzoate;cis-[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] (1S,2R)-2-methylcyclohexane-1-carboxylate;[2-[4-(7-fluoro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] acetate;[2-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-ethylbenzoate

C99H88Cl3F6N25O15 — CID 162171978

About [2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-(3,5-difluorophenyl)acetate;[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2,3,4-trifluorobenzoate;cis-[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] (1S,2R)-2-methylcyclohexane-1-carboxylate;[2-[4-(7-fluoro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] acetate;[2-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-ethylbenzoate

[2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-(3,5-difluorophenyl)acetate;[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2,3,4-trifluorobenzoate;cis-[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] (1S,2R)-2-methylcyclohexane-1-carboxylate;[2-[4-(7-fluoro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] acetate;[2-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-ethylbenzoate (PubChem CID 162171978) has the molecular formula C99H88Cl3F6N25O15 and a molecular weight of 2088.30 g/mol. Its IUPAC name is [2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-(3,5-difluorophenyl)acetate;[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2,3,4-trifluorobenzoate;cis-[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] (1S,2R)-2-methylcyclohexane-1-carboxylate;[2-[4-(7-fluoro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] acetate;[2-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-ethylbenzoate.

Molecular Properties

• Compound Name: [2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-(3,5-difluorophenyl)acetate;[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2,3,4-trifluorobenzoate;cis-[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] (1S,2R)-2-methylcyclohexane-1-carboxylate;[2-[4-(7-fluoro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] acetate;[2-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-ethylbenzoate
• PubChem CID: 162171978
• Molecular Formula: C99H88Cl3F6N25O15
• Molecular Weight: 2088.30 g/mol
• Exact Mass: 2085.59
• IUPAC Name: [2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-(3,5-difluorophenyl)acetate;[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2,3,4-trifluorobenzoate;cis-[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] (1S,2R)-2-methylcyclohexane-1-carboxylate;[2-[4-(7-fluoro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] acetate;[2-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-ethylbenzoate
• SMILES: CC(=O)OCC(=O)Nc1ccc(-c2nc3c(F)c(C)[nH]n3n2)cc1.CCc1ccccc1C(=O)OCC(=O)Nc1ccc(-c2nc3cc(C)[nH]n3n2)cc1.Cc1[nH]n2nc(-c3ccc(NC(=O)COC(=O)Cc4cc(F)cc(F)c4)cc3)nc2c1Cl.Cc1[nH]n2nc(-c3cccc(NC(=O)COC(=O)[C@H]4CCCC[C@H]4C)c3)nc2c1Cl.Cc1[nH]n2nc(-c3cccc(NC(=O)COC(=O)c4ccc(F)c(F)c4F)c3)nc2c1Cl
• InChI: InChI=1S/C22H21N5O3.C21H16ClF2N5O3.C21H24ClN5O3.C20H13ClF3N5O3.C15H14FN5O3/c1-3-15-6-4-5-7-18(15)22(29)30-13-20(28)23-17-10-8-16(9-11-17)21-24-19-12-14(2)25-27(19)26-21;1-11-19(22)21-26-20(28-29(21)27-11)13-2-4-16(5-3-13)25-17(30)10-32-18(31)8-12-6-14(23)9-15(24)7-12;1-12-6-3-4-9-16(12)21(29)30-11-17(28)23-15-8-5-7-14(10-15)19-24-20-18(22)13(2)25-27(20)26-19;1-9-15(21)19-26-18(28-29(19)27-9)10-3-2-4-11(7-10)25-14(30)8-32-20(31)12-5-6-13(22)17(24)16(12)23;1-8-13(16)15-18-14(20-21(15)19-8)10-3-5-11(6-4-10)17-12(23)7-24-9(2)22/h4-12,25H,3,13H2,1-2H3,(H,23,28);2-7,9,27H,8,10H2,1H3,(H,25,30);5,7-8,10,12,16,25H,3-4,6,9,11H2,1-2H3,(H,23,28);2-7,27H,8H2,1H3,(H,25,30);3-6,19H,7H2,1-2H3,(H,17,23)/t;;12-,16+;;/m..1../s1
• InChIKey: OZGVEDHEPJHNLB-MCQSHAGMSA-N
• XLogP: 16.65
• TPSA: 506.90 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2088.30
LogP ≤ 5	16.65
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-(3,5-difluorophenyl)acetate;[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2,3,4-trifluorobenzoate;cis-[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] (1S,2R)-2-methylcyclohexane-1-carboxylate;[2-[4-(7-fluoro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] acetate;[2-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-ethylbenzoate?

The IUPAC name of [2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-(3,5-difluorophenyl)acetate;[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2,3,4-trifluorobenzoate;cis-[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] (1S,2R)-2-methylcyclohexane-1-carboxylate;[2-[4-(7-fluoro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] acetate;[2-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-ethylbenzoate (CID 162171978) is [2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-(3,5-difluorophenyl)acetate;[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2,3,4-trifluorobenzoate;cis-[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] (1S,2R)-2-methylcyclohexane-1-carboxylate;[2-[4-(7-fluoro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] acetate;[2-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-ethylbenzoate.

What is the SMILES notation for [2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-(3,5-difluorophenyl)acetate;[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2,3,4-trifluorobenzoate;cis-[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] (1S,2R)-2-methylcyclohexane-1-carboxylate;[2-[4-(7-fluoro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] acetate;[2-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-ethylbenzoate?

The canonical SMILES for [2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-(3,5-difluorophenyl)acetate;[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2,3,4-trifluorobenzoate;cis-[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] (1S,2R)-2-methylcyclohexane-1-carboxylate;[2-[4-(7-fluoro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] acetate;[2-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-ethylbenzoate is CC(=O)OCC(=O)Nc1ccc(-c2nc3c(F)c(C)[nH]n3n2)cc1.CCc1ccccc1C(=O)OCC(=O)Nc1ccc(-c2nc3cc(C)[nH]n3n2)cc1.Cc1[nH]n2nc(-c3ccc(NC(=O)COC(=O)Cc4cc(F)cc(F)c4)cc3)nc2c1Cl.Cc1[nH]n2nc(-c3cccc(NC(=O)COC(=O)[C@H]4CCCC[C@H]4C)c3)nc2c1Cl.Cc1[nH]n2nc(-c3cccc(NC(=O)COC(=O)c4ccc(F)c(F)c4F)c3)nc2c1Cl.

What is the InChIKey of [2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-(3,5-difluorophenyl)acetate;[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2,3,4-trifluorobenzoate;cis-[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] (1S,2R)-2-methylcyclohexane-1-carboxylate;[2-[4-(7-fluoro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] acetate;[2-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-ethylbenzoate?

The InChIKey is OZGVEDHEPJHNLB-MCQSHAGMSA-N. The full InChI is InChI=1S/C22H21N5O3.C21H16ClF2N5O3.C21H24ClN5O3.C20H13ClF3N5O3.C15H14FN5O3/c1-3-15-6-4-5-7-18(15)22(29)30-13-20(28)23-17-10-8-16(9-11-17)21-24-19-12-14(2)25-27(19)26-21;1-11-19(22)21-26-20(28-29(21)27-11)13-2-4-16(5-3-13)25-17(30)10-32-18(31)8-12-6-14(23)9-15(24)7-12;1-12-6-3-4-9-16(12)21(29)30-11-17(28)23-15-8-5-7-14(10-15)19-24-20-18(22)13(2)25-27(20)26-19;1-9-15(21)19-26-18(28-29(19)27-9)10-3-2-4-11(7-10)25-14(30)8-32-20(31)12-5-6-13(22)17(24)16(12)23;1-8-13(16)15-18-14(20-21(15)19-8)10-3-5-11(6-4-10)17-12(23)7-24-9(2)22/h4-12,25H,3,13H2,1-2H3,(H,23,28);2-7,9,27H,8,10H2,1H3,(H,25,30);5,7-8,10,12,16,25H,3-4,6,9,11H2,1-2H3,(H,23,28);2-7,27H,8H2,1H3,(H,25,30);3-6,19H,7H2,1-2H3,(H,17,23)/t;;12-,16+;;/m..1../s1.

What are the key properties of [2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-(3,5-difluorophenyl)acetate;[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2,3,4-trifluorobenzoate;cis-[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] (1S,2R)-2-methylcyclohexane-1-carboxylate;[2-[4-(7-fluoro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] acetate;[2-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-ethylbenzoate?

[2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-(3,5-difluorophenyl)acetate;[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2,3,4-trifluorobenzoate;cis-[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] (1S,2R)-2-methylcyclohexane-1-carboxylate;[2-[4-(7-fluoro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] acetate;[2-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-ethylbenzoate has a molecular weight of 2088.30 g/mol, XLogP of 16.65, 26 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-(3,5-difluorophenyl)acetate;[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2,3,4-trifluorobenzoate;cis-[2-[3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] (1S,2R)-2-methylcyclohexane-1-carboxylate;[2-[4-(7-fluoro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] acetate;[2-[4-(6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-ethylbenzoate is sourced from PubChem (CID 162171978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).